2-(trifluoromethoxy)ethyl dihydrogen phosphite

C3H6F3O4P — CID 175196611

IUPAC2-(trifluoromethoxy)ethyl dihydrogen phosphite
SMILESOP(O)OCCOC(F)(F)F
InChIInChI=1S/C3H6F3O4P/c4-3(5,6)9-1-2-10-11(7)8/h7-8H,1-2H2
InChIKeyLNXGBSNTZDXWKW-UHFFFAOYSA-N
MW194.04 g/mol
LogP0.75
Rot. Bonds4

About 2-(trifluoromethoxy)ethyl dihydrogen phosphite

2-(trifluoromethoxy)ethyl dihydrogen phosphite (PubChem CID 175196611) has the molecular formula C3H6F3O4P and a molecular weight of 194.04 g/mol. Its IUPAC name is 2-(trifluoromethoxy)ethyl dihydrogen phosphite.

Molecular Properties

Compound Name2-(trifluoromethoxy)ethyl dihydrogen phosphite
PubChem CID175196611
Molecular FormulaC3H6F3O4P
Molecular Weight194.04 g/mol
Exact Mass194.00
IUPAC Name2-(trifluoromethoxy)ethyl dihydrogen phosphite
SMILESOP(O)OCCOC(F)(F)F
InChIInChI=1S/C3H6F3O4P/c4-3(5,6)9-1-2-10-11(7)8/h7-8H,1-2H2
InChIKeyLNXGBSNTZDXWKW-UHFFFAOYSA-N
XLogP0.75
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.04
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)ethyl dihydrogen phosphite?
The IUPAC name of 2-(trifluoromethoxy)ethyl dihydrogen phosphite (CID 175196611) is 2-(trifluoromethoxy)ethyl dihydrogen phosphite.
What is the SMILES notation for 2-(trifluoromethoxy)ethyl dihydrogen phosphite?
The canonical SMILES for 2-(trifluoromethoxy)ethyl dihydrogen phosphite is OP(O)OCCOC(F)(F)F.
What is the InChIKey of 2-(trifluoromethoxy)ethyl dihydrogen phosphite?
The InChIKey is LNXGBSNTZDXWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3O4P/c4-3(5,6)9-1-2-10-11(7)8/h7-8H,1-2H2.
What are the key properties of 2-(trifluoromethoxy)ethyl dihydrogen phosphite?
2-(trifluoromethoxy)ethyl dihydrogen phosphite has a molecular weight of 194.04 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)ethyl dihydrogen phosphite is sourced from PubChem (CID 175196611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).